MMsINC Database Search


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MMsINC code: MMs01223507

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O=C1NC(=O)NC1Cc1ccccc1

InChI:

InChI=1/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.30085 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -1.96985	SlogP: 0.43707	Reactive groups: 0

Topological Properties
Globularity: 0.0741582	Sterimol/B1: 2.47729	Sterimol/B2: 3.4056	Sterimol/B3: 3.66492
Sterimol/B4: 4.23179	Sterimol/L: 11.8435

Surface and Volume Properties
Accessible surface: 379.747	Positive charged surface: 210.116	Negative charged surface: 169.631	Volume: 177.125
Hydrophobic surface: 223.656	Hydrophilic surface: 156.091

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.