MMsINC Database Search


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MMsINC code: MMs02713449

Type: Neutral
Formula: C₂₀H₁₄N₂O₃

SMILES:

O=C1NC(=O)c2c3c1ccc(NC(=O)Cc1ccccc1)c3ccc2

InChI:

InChI=1/C20H14N2O3/c23-17(11-12-5-2-1-3-6-12)21-16-10-9-15-18-13(16)7-4-8-14(18)19(24)22-20(15)25/h1-10H,11H2,(H,21,23)(H,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9088 kcal/mol

Physical Properties
Molecular Weight: 330.343 g/mol	logS: -5.95006	SlogP: 2.90457	Reactive groups: 0

Topological Properties
Globularity: 0.0426664	Sterimol/B1: 3.35923	Sterimol/B2: 4.1631	Sterimol/B3: 4.46059
Sterimol/B4: 6.05461	Sterimol/L: 17.0969

Surface and Volume Properties
Accessible surface: 555.046	Positive charged surface: 303.497	Negative charged surface: 240.157	Volume: 300.875
Hydrophobic surface: 407.711	Hydrophilic surface: 147.335

Pharmacophoric Properties
Hydrogen bond donors: 2	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.