MMsINC Database Search


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MMsINC code: MMs02310370

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

OC(=O)C(NC(=O)c1nc2c(cc1)cccc2)Cc1ccccc1

InChI:

InChI=1/C19H16N2O3/c22-18(16-11-10-14-8-4-5-9-15(14)20-16)21-17(19(23)24)12-13-6-2-1-3-7-13/h1-11,17H,12H2,(H,21,22)(H,23,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1156 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -4.09768	SlogP: 2.66047	Reactive groups: 0

Topological Properties
Globularity: 0.134667	Sterimol/B1: 2.45214	Sterimol/B2: 3.17394	Sterimol/B3: 4.7132
Sterimol/B4: 8.97644	Sterimol/L: 14.5359

Surface and Volume Properties
Accessible surface: 563.806	Positive charged surface: 302.709	Negative charged surface: 255.881	Volume: 303.5
Hydrophobic surface: 430.758	Hydrophilic surface: 133.048

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02310371
NCID-ZINC01674985