MMsINC Database Search


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MMsINC code: MMs00315712

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C1c2c(C(=O)c3c1cccc3)c(N)ccc2Nc1c(cc(cc1C)C)C

InChI:

InChI=1/C23H20N2O2/c1-12-10-13(2)21(14(3)11-12)25-18-9-8-17(24)19-20(18)23(27)16-7-5-4-6-15(16)22(19)26/h4-11,25H,24H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=169.871 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -6.02106	SlogP: 4.71306	Reactive groups: 0

Topological Properties
Globularity: 0.205495	Sterimol/B1: 2.50329	Sterimol/B2: 5.6018	Sterimol/B3: 6.65267
Sterimol/B4: 6.84433	Sterimol/L: 13.8941

Surface and Volume Properties
Accessible surface: 571.336	Positive charged surface: 358.894	Negative charged surface: 212.443	Volume: 345.875
Hydrophobic surface: 478.248	Hydrophilic surface: 93.088

Pharmacophoric Properties
Hydrogen bond donors: 2	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.