MMsINC Database Search


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MMsINC code: MMs00063723

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1N(CC(C1)C(=O)Nc1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C19H20N2O2/c1-13-7-9-16(10-8-13)21-12-15(11-18(21)22)19(23)20-17-6-4-3-5-14(17)2/h3-10,15H,11-12H2,1-2H3,(H,20,23)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.027 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.89904	SlogP: 3.29504	Reactive groups: 0

Topological Properties
Globularity: 0.0636872	Sterimol/B1: 3.60788	Sterimol/B2: 3.78055	Sterimol/B3: 3.95229
Sterimol/B4: 6.47062	Sterimol/L: 17.0216

Surface and Volume Properties
Accessible surface: 571.355	Positive charged surface: 344.135	Negative charged surface: 227.22	Volume: 307
Hydrophobic surface: 514.574	Hydrophilic surface: 56.781

Pharmacophoric Properties
Hydrogen bond donors: 1	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.