MMsINC Database Search


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MMsINC code: MMs01001917

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O=C1N(C=C(c2c1cccc2)C(=O)N(Cc1ccccc1)CC)C

InChI:

InChI=1/C20H20N2O2/c1-3-22(13-15-9-5-4-6-10-15)20(24)18-14-21(2)19(23)17-12-8-7-11-16(17)18/h4-12,14H,3,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7639 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -3.99127	SlogP: 3.4282	Reactive groups: 0

Topological Properties
Globularity: 0.149082	Sterimol/B1: 2.50572	Sterimol/B2: 3.3787	Sterimol/B3: 6.39801
Sterimol/B4: 7.29592	Sterimol/L: 15.1253

Surface and Volume Properties
Accessible surface: 560.106	Positive charged surface: 348.855	Negative charged surface: 211.251	Volume: 322.5
Hydrophobic surface: 479.541	Hydrophilic surface: 80.565

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: 1

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Ions/Tautomers related molecules: no related molecules available.