MMsINC Database Search


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MMsINC code: MMs00482141

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O=C1NC(Cc2ccccc2)C(=O)NC1Cc1ccccc1

InChI:

InChI=1/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.612 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.74326	SlogP: 1.45494	Reactive groups: 0

Topological Properties
Globularity: 0.0829662	Sterimol/B1: 2.33557	Sterimol/B2: 3.70139	Sterimol/B3: 4.26789
Sterimol/B4: 4.95343	Sterimol/L: 16.3002

Surface and Volume Properties
Accessible surface: 527.803	Positive charged surface: 286.369	Negative charged surface: 241.435	Volume: 288
Hydrophobic surface: 417.16	Hydrophilic surface: 110.643

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.