MMsINC Database Search


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MMsINC code: MMs00191383

Type: Neutral
Formula: C₂₀H₁₅N₃O₂

SMILES:

o1c2cc(ccc2nc1-c1ccc(NC(=O)c2cccnc2)cc1)C

InChI:

InChI=1/C20H15N3O2/c1-13-4-9-17-18(11-13)25-20(23-17)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9905 kcal/mol

Physical Properties
Molecular Weight: 329.359 g/mol	logS: -5.88632	SlogP: 4.45052	Reactive groups: 0

Topological Properties
Globularity: 0.0067751	Sterimol/B1: 2.42	Sterimol/B2: 2.79816	Sterimol/B3: 3.46245
Sterimol/B4: 4.9598	Sterimol/L: 21.1518

Surface and Volume Properties
Accessible surface: 598.573	Positive charged surface: 364.413	Negative charged surface: 234.16	Volume: 315.375
Hydrophobic surface: 507.294	Hydrophilic surface: 91.279

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.