MMsINC Database Search


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MMsINC code: MMs02874940

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(N=C=O)Cc1cc(ccc1)-c1cc(NC)ccc1

InChI:

InChI=1/C15H14N2O2/c1-16-15-7-3-6-14(9-15)13-5-2-4-12(8-13)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)=81.1267 kcal/mol

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

Topological Properties
Globularity: 0.0336995	Sterimol/B1: 3.26023	Sterimol/B2: 3.66832	Sterimol/B3: 4.60016
Sterimol/B4: 5.26082	Sterimol/L: 16.7369

Surface and Volume Properties
Accessible surface: 522.625	Positive charged surface: 315.95	Negative charged surface: 194.736	Volume: 251.625
Hydrophobic surface: 367.292	Hydrophilic surface: 155.333

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.