MMsINC Database Search


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MMsINC code: MMs00809061

Type: Neutral
Formula: C₂₄H₁₉NO₃

SMILES:

O=C1c2c(cccc2NC(=O)c2ccc(cc2)C(C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C24H19NO3/c1-14(2)15-10-12-16(13-11-15)24(28)25-20-9-5-8-19-21(20)23(27)18-7-4-3-6-17(18)22(19)26/h3-14H,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.361 kcal/mol

Physical Properties
Molecular Weight: 369.42 g/mol	logS: -7.35935	SlogP: 4.8377	Reactive groups: 0

Topological Properties
Globularity: 0.0243947	Sterimol/B1: 2.10287	Sterimol/B2: 4.79987	Sterimol/B3: 5.2446
Sterimol/B4: 7.11846	Sterimol/L: 17.4335

Surface and Volume Properties
Accessible surface: 618.36	Positive charged surface: 355.809	Negative charged surface: 262.551	Volume: 357.375
Hydrophobic surface: 487.55	Hydrophilic surface: 130.81

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.