MMsINC Database Search


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MMsINC code: MMs02143829

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(N1CCc2c1cccc2)CN1CCCc2c1cccc2

InChI:

InChI=1/C19H20N2O/c22-19(21-13-11-16-7-2-4-10-18(16)21)14-20-12-5-8-15-6-1-3-9-17(15)20/h1-4,6-7,9-10H,5,8,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.949 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.77224	SlogP: 3.02844	Reactive groups: 0

Topological Properties
Globularity: 0.0605447	Sterimol/B1: 2.56403	Sterimol/B2: 2.70816	Sterimol/B3: 3.85192
Sterimol/B4: 7.02724	Sterimol/L: 14.498

Surface and Volume Properties
Accessible surface: 531.323	Positive charged surface: 349.298	Negative charged surface: 182.025	Volume: 292.25
Hydrophobic surface: 495.222	Hydrophilic surface: 36.101

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.