MMsINC Database Search


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MMsINC code: MMs01598333

Type: Neutral
Formula: C₂₄H₂₇N₃O₄

SMILES:

O=C1N(CC(C)C)C(=O)N(CC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O

InChI:

InChI=1/C24H27N3O4/c1-17(2)15-26-22(29)23(30)27(24(26)31)16-21(28)25-14-13-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0031 kcal/mol

Physical Properties
Molecular Weight: 421.497 g/mol	logS: -4.89273	SlogP: 2.7716	Reactive groups: 0

Topological Properties
Globularity: 0.0628868	Sterimol/B1: 2.65294	Sterimol/B2: 4.89427	Sterimol/B3: 5.96449
Sterimol/B4: 6.48135	Sterimol/L: 20.8271

Surface and Volume Properties
Accessible surface: 735.576	Positive charged surface: 444.202	Negative charged surface: 291.374	Volume: 410.125
Hydrophobic surface: 539.105	Hydrophilic surface: 196.471

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.