MMsINC Database Search


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MMsINC code: MMs02874660

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(N=C=O)Cc1cc(ccc1)-c1ccccc1NC

InChI:

InChI=1/C15H14N2O2/c1-16-15-8-3-2-7-14(15)13-6-4-5-12(9-13)10-19-17-11-18/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3188 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.61485	SlogP: 3.4291	Reactive groups: 1

Topological Properties
Globularity: 0.166954	Sterimol/B1: 2.50959	Sterimol/B2: 4.01099	Sterimol/B3: 5.11564
Sterimol/B4: 7.28509	Sterimol/L: 14.0957

Surface and Volume Properties
Accessible surface: 511.791	Positive charged surface: 319.305	Negative charged surface: 188.026	Volume: 252.375
Hydrophobic surface: 376.653	Hydrophilic surface: 135.138

Pharmacophoric Properties
Hydrogen bond donors: 1	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.