MMsINC Database Search


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MMsINC code: MMs02006286

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)CC1NCC(C)C

InChI:

InChI=1/C15H20N2O2/c1-11(2)9-16-13-8-14(18)17(15(13)19)10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.0492 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.34078	SlogP: 1.8261	Reactive groups: 0

Topological Properties
Globularity: 0.119059	Sterimol/B1: 3.4757	Sterimol/B2: 3.72612	Sterimol/B3: 3.93516
Sterimol/B4: 6.22779	Sterimol/L: 13.5286

Surface and Volume Properties
Accessible surface: 500.288	Positive charged surface: 335.157	Negative charged surface: 165.132	Volume: 266.625
Hydrophobic surface: 383.614	Hydrophilic surface: 116.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.