MMsINC Database Search


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MMsINC code: MMs02819061

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C1C=CC(=O)CC1(c1c2c(n(c1)C)cccc2)c1c2c(n(c1)C)cccc2

InChI:

InChI=1/C24H20N2O2/c1-25-14-19(17-7-3-5-9-21(17)25)24(13-16(27)11-12-23(24)28)20-15-26(2)22-10-6-4-8-18(20)22/h3-12,14-15H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9591 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -4.50403	SlogP: 4.7726	Reactive groups: 1

Topological Properties
Globularity: 0.20795	Sterimol/B1: 2.1435	Sterimol/B2: 3.24772	Sterimol/B3: 5.77664
Sterimol/B4: 9.44809	Sterimol/L: 14.5209

Surface and Volume Properties
Accessible surface: 594.482	Positive charged surface: 359.893	Negative charged surface: 232.526	Volume: 361.5
Hydrophobic surface: 517.57	Hydrophilic surface: 76.912

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.