MMsINC Database Search


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MMsINC code: MMs01609924

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O=C(NCC(=O)NC)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C15H16N2O2/c1-16-15(19)10-17-14(18)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9-10H2,1H3,(H,16,19)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2355 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.64293	SlogP: 1.24447	Reactive groups: 0

Topological Properties
Globularity: 0.0502411	Sterimol/B1: 2.87564	Sterimol/B2: 3.52933	Sterimol/B3: 4.60329
Sterimol/B4: 5.22621	Sterimol/L: 15.9614

Surface and Volume Properties
Accessible surface: 504.882	Positive charged surface: 335.002	Negative charged surface: 161.807	Volume: 253.5
Hydrophobic surface: 406.063	Hydrophilic surface: 98.819

Pharmacophoric Properties
Hydrogen bond donors: 2	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.