MMsINC Database Search


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MMsINC code: MMs00210985

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(CCCC(=O)Nc2ccc(cc2)-c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C24H20N2O3/c27-22(25-19-14-12-18(13-15-19)17-7-2-1-3-8-17)11-6-16-26-23(28)20-9-4-5-10-21(20)24(26)29/h1-5,7-10,12-15H,6,11,16H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3951 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.44123	SlogP: 4.3685	Reactive groups: 0

Topological Properties
Globularity: 0.0302883	Sterimol/B1: 3.18106	Sterimol/B2: 3.88368	Sterimol/B3: 4.38625
Sterimol/B4: 6.51322	Sterimol/L: 21.4976

Surface and Volume Properties
Accessible surface: 682.2	Positive charged surface: 369.957	Negative charged surface: 301.985	Volume: 371.625
Hydrophobic surface: 563.572	Hydrophilic surface: 118.628

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.